5-azanyl-2-[[4-chloranyl-3-(sulfinoamino)phenyl]methyl]-4-methyl-3-oxidanylidene-1H-pyrazole

Systemtic Name: 5-azanyl-2-[[4-chloranyl-3-(sulfinoamino)phenyl]methyl]-4-methyl-3-oxidanylidene-1H-pyrazole Openeye Name: 5-amino-2-[[4-chloro-3-(sulfinoamino)phenyl]methyl]-4-methyl-3-oxo-1H-pyrazole CAS Name: 5-amino-2-[[4-chloro-3-(sulfinoamino)phenyl]methyl]-4-methyl-3-oxo-1H-pyrazole IUPAC Name: 5-amino-2-[[4-chloro-3-(sulfinoamino)phenyl]methyl]-4-methyl-3-oxo-1H-pyrazole Traditional Name: 3-amino-1-[4-chloro-3-(sulfinoamino)benzyl]-5-keto-4-methyl-3-pyrazoline Formula: C11H13ClN4O3S MolecularWeight: 316.76392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC(=C(C=C2)Cl)NS(=O)O)N

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC(=C(C=C2)Cl)NS(=O)O)N

InChI

InChI=1S/C11H13ClN4O3S/c1-6-10(13)14-16(11(6)17)5-7-2-3-8(12)9(4-7)15-20(18)19/h2-4,14-15H,5,13H2,1H3,(H,18,19)